Exploring the electronic, optical, and charge transfer properties of ADA-type IDTV-ThIC-based molecules to enhance photovoltaic performance of organic solar cells

M Majeed, M Waqas, Z Aloui, M Essid, MAA Ibrahim… - ACS …, 2023 - ACS Publications
Improving the charge mobility and optoelectronic properties of indacenodithiophene-based
small molecule acceptors is a key challenge to improving overall efficiency. In this current …

α-Cyanostilbene: a multifunctional spectral engineering motif

P Mahalingavelar, S Kanvah - Physical Chemistry Chemical Physics, 2022 - pubs.rsc.org
Aggregation-induced emission (AIE) is a unique photophysical phenomenon of organic
chromophores, exhibiting a significant emission enhancement in the condensed phase …

How end-capped acceptors regulate the photovoltaic performance of the organic solar cells: a detailed density functional exploration of their impact on the A–d− π–D …

P Mahalingavelar - Energy & Fuels, 2022 - ACS Publications
Recent investigations on organic solar cells have demonstrated the superior photovoltaic
performance of A− π–D− π–A type small molecular electron donors (SMEDs) compared to …

Addition of acceptor moiety toward Quinoxaline-based conjugated framework of chromophores for highly efficient organic solar cells

N Maqsood, R Altuijri, LA El Maati, M Ans… - Journal of Physics and …, 2023 - Elsevier
The quantum contemplation of highly unsaturated D-π-A type renewed chromophores
(TQ41-TQ45) constructed on quinoxaline core-based model TQ4 are predicted to suggest …

Molecular engineering of bicarbazole-based donor molecules with remarkable photovoltaic parameters for organic solar cells

N Maqsood, A Asif, M Ans, QS Hameed, A Elmushyakhi… - Optik, 2023 - Elsevier
Strategies for modeling π-conjugated donor molecules for photovoltaic performance in the
community of organic solar cells are well renowned in the literature. The recent study is …

Designing Y-shaped two-dimensional (2D) polymer-based donor materials with addition of end group acceptors for organic and perovskite solar cells

S Hameed, S Gul, M Ans, IA Bhatti, RA Khera… - Journal of Molecular …, 2023 - Springer
Context For the advancement in fields of organic and perovskite solar cells, various
techniques of structural alterations are being employed on previously reported …

Amplifying the photovoltaic properties of phenylene dithiophene core based non-fused ring by engineering the terminal acceptors modification to enhance the …

A Raza, RF Mehmood, EU Rashid, IS Yahia… - Journal of Molecular …, 2023 - Elsevier
In this study, a series of eight non-fused rings-based semiconducting acceptors (AR1-AR8)
were computationally developed by making modifications to the parent molecule (PTICO). In …

Asymmetrically bridged aroyl-S, N-ketene acetal-based multichromophores with aggregation-induced tunable emission

L Biesen, J Krenzer, N Nirmalananthan-Budau… - Chemical …, 2022 - pubs.rsc.org
Asymmetrically bridged aroyl-S, N-ketene acetals and aroyl-S, N-ketene acetal
multichromophores can be readily synthesized in consecutive three-, four-, or five …

The impact of heteroatom substitution on cross-conjugation and its effect on the photovoltaic performance of DSSCs–a computational investigation of linear vs. cross …

M Paramasivam, RK Chitumalla, J Jang… - Physical Chemistry …, 2018 - pubs.rsc.org
The unusual bonding pattern and proximal heteroatom substitution in π-cross conjugation
produced distinct changes in the energy levels and photophysical behaviour of the dyes. To …

Tuning the optoelectronic properties of acridine-triphenylamine (ACR-TPA) based novel hole transporting material for high efficiency perovskite and organic solar cell

A Rasool, B Basha, A Elmushyakhi, I Hossain… - Journal of Molecular …, 2023 - Elsevier
In this research, five distinct small donor molecules (designated as ACR-TPA-X1, ACR-TPA-
X2, ACR-TPA-X3, ACR-TPA-X4, ACR-TPA-X5) are constructed by replacing the methoxy …